Compound Detail
CHEMBL173157
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Cc1nc2cnccc2n1Cc1ccc(C(=O)c2cn(C(=O)N(C)C)c3cccc(C(=O)OC(C)C)c23)cc1
Basic Information
| ChEMBL ID | CHEMBL173157 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QAJKNEODIARJGW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
523.6
MW (Da)
5.07
ALogP
8
HBA
0
HBD
99.3
PSA (Ų)
0.23
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet-activating factor receptor CHEMBL5136 | Ki | 8.33 | 8.33 | 4.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet-activating factor receptor | Ki | = | 4.7 | nM | 8.33 | Binding potency against Platelet activating factor (PAF) receptor using [3H]C18-... | 9438024 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9438024 | 10.1021/jm970389+ | Platelet-activating factor receptor | 2 |
Data from ChEMBL 36 via Core Engine